(5-ethanoyl-2-methoxy-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-(3-chloro-4-fluoro-phenyl)isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-(3-chloro-4-fluoro-phenyl)isothiourea Formula: C17H16ClFN2O2S MolecularWeight: 366.837543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NC2=CC(=C(C=C2)F)Cl)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NC2=CC(=C(C=C2)F)Cl)N

InChI

InChI=1S/C17H16ClFN2O2S/c1-10(22)11-3-6-16(23-2)12(7-11)9-24-17(20)21-13-4-5-15(19)14(18)8-13/h3-8H,9H2,1-2H3,(H2,20,21)